1-(1-azidopropan-2-yl)-4-chlorobenzene

C9H10ClN3 — CID 90211793

IUPAC1-(1-azidopropan-2-yl)-4-chlorobenzene
SMILESCC(CN=[N+]=[N-])c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClN3/c1-7(6-12-13-11)8-2-4-9(10)5-3-8/h2-5,7H,6H2,1H3
InChIKeySOZRZKSXHPKWCU-UHFFFAOYSA-N
MW195.65 g/mol
LogP3.75
Rot. Bonds3

About 1-(1-azidopropan-2-yl)-4-chlorobenzene

1-(1-azidopropan-2-yl)-4-chlorobenzene (PubChem CID 90211793) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 1-(1-azidopropan-2-yl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(1-azidopropan-2-yl)-4-chlorobenzene
PubChem CID90211793
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name1-(1-azidopropan-2-yl)-4-chlorobenzene
SMILESCC(CN=[N+]=[N-])c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClN3/c1-7(6-12-13-11)8-2-4-9(10)5-3-8/h2-5,7H,6H2,1H3
InChIKeySOZRZKSXHPKWCU-UHFFFAOYSA-N
XLogP3.75
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-(1-azidopropan-2-yl)-4-chlorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-1-azidopropan-2-yl]-4-nitrosobenzene
CID 173493897
(2S)-3-azido-2-(4-chlorophenyl)propanenitrile
CID 134956148
N-[2-azido-1-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 11245057
(3R)-4-azido-3-(4-chlorophenyl)butanoic acid
CID 10999111
(1R)-3-azido-1-(4-chlorophenyl)propan-1-amine
CID 140626433
1-azido-3-(4-chlorophenyl)propan-2-amine
CID 141240691
1-butan-2-yl-4-chlorobenzene;ethane
CID 91162250
(1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol
CID 83093429
1-[[2-azido-1-(4-chlorophenyl)ethoxy]methyl]-4-(2-phenylethyl)benzene
CID 122533467
1-azido-2-chloropropane
CID 141342306
azidoethane;butan-2-ylbenzene
CID 161488287
1-(1,2-diazidoethyl)-4-methylbenzene
CID 22555830

Frequently Asked Questions

What is the IUPAC name of 1-(1-azidopropan-2-yl)-4-chlorobenzene?
The IUPAC name of 1-(1-azidopropan-2-yl)-4-chlorobenzene (CID 90211793) is 1-(1-azidopropan-2-yl)-4-chlorobenzene.
What is the SMILES notation for 1-(1-azidopropan-2-yl)-4-chlorobenzene?
The canonical SMILES for 1-(1-azidopropan-2-yl)-4-chlorobenzene is CC(CN=[N+]=[N-])c1ccc(Cl)cc1.
What is the InChIKey of 1-(1-azidopropan-2-yl)-4-chlorobenzene?
The InChIKey is SOZRZKSXHPKWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c1-7(6-12-13-11)8-2-4-9(10)5-3-8/h2-5,7H,6H2,1H3.
What are the key properties of 1-(1-azidopropan-2-yl)-4-chlorobenzene?
1-(1-azidopropan-2-yl)-4-chlorobenzene has a molecular weight of 195.65 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azidopropan-2-yl)-4-chlorobenzene is sourced from PubChem (CID 90211793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).